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Substance Name: 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4S,3R)-(Z)-(+/-)-
RN: 157903-15-6
UNII: 5TDJ25P9WV
InChIKey: KPQMCAKZRXOZLB-ICJJVXPOSA-N

Molecular Weight

  • 224.298
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4S,3R)-(Z)-(+/-)-

Synonyms

  • FEMA no. 4661, (4S,3R)-(Z)-(+/-)-
  • UNII-5TDJ25P9WV

Registry Numbers

CAS Registry Number

  • 157903-15-6

FDA UNII

  • 5TDJ25P9WV

System Generated Number

  • 0157903156

Structure Descriptors

InChI

1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-/t10-,13-/m1/s1

InChIKey

KPQMCAKZRXOZLB-ICJJVXPOSA-N

Smiles

CC1=CC(=O)CC([C@]1(/C=C\[C@@H](C)O)O)(C)C